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CHEBI:192780 - pentafluorobenzyl bromide

ChEBI IDCHEBI:192780
ChEBI Namepentafluorobenzyl bromide
Stars
DefinitionA member of the class benzyl bromides that is benzyl bromide in which the hydrogens at positions 2, 3, 4, 5 and 6 of the phenyl ring are replaced by fluoro groups. It is a versatile derivatization agent in chromatography and mass spectrometry.
Last Modified25 August 2022
Submittermwilliams
DownloadsMolfile
FormulaC7H2BrF5
Net Charge0
Average Mass260.987
Monoisotopic Mass259.92600
SMILESFc1c(F)c(F)c(CBr)c(F)c1F
InChIInChI=1S/C7H2BrF5/c8-1-2-3(9)5(11)7(13)6(12)4(2)10/h1H2
InChIKeyXDEPVFFKOVDUNO-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
pentafluorobenzyl bromide (CHEBI:192780) is a benzyl bromides (CHEBI:59857)
pentafluorobenzyl bromide (CHEBI:192780) is a fluorobenzenes (CHEBI:35496)
IUPAC Name 
1-(bromomethyl)-2,3,4,5,6-pentafluorobenzene
Synonyms  Source
PFBBrSUBMITTER
2,3,4,5,6-pentafluorobenzyl bromideChemIDplus
α-bromo-2,3,4,5,6-pentafluorotolueneChemIDplus
(bromomethyl)pentafluorobenzeneChemIDplus
1-bromomethylpentafluorobenzeneChemIDplus
PFB-BrChEBI
Registry NumbersSources
Reaxys:647808Reaxys
CAS:1765-40-8ChemIDplus
CAS:1765-40-8NIST Chemistry WebBook
Citations